(4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one

C19H23NO3 — CID 134866822

IUPAC(4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(=CC(=O)N1C(=O)OC[C@H]1c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H23NO3/c1-14(15-8-4-2-5-9-15)12-18(21)20-17(13-23-19(20)22)16-10-6-3-7-11-16/h3,6-7,10-12,15,17H,2,4-5,8-9,13H2,1H3/t17-/m0/s1
InChIKeyVBPNJWHKPVBDJJ-KRWDZBQOSA-N
MW313.40 g/mol
LogP4.23
Rot. Bonds3

About (4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134866822) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID134866822
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(=CC(=O)N1C(=O)OC[C@H]1c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H23NO3/c1-14(15-8-4-2-5-9-15)12-18(21)20-17(13-23-19(20)22)16-10-6-3-7-11-16/h3,6-7,10-12,15,17H,2,4-5,8-9,13H2,1H3/t17-/m0/s1
InChIKeyVBPNJWHKPVBDJJ-KRWDZBQOSA-N
XLogP4.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
(3S-cis)-(+)-2,3-Dihydro-7a-methyl-3-phenylpyrrolo[2,1-b]oxazol-5(7aH)-one
CID 7157228
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
(4S)-3-[(2E)-But-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 5469245
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
Locostatin
CID 5702600
2,2-Dimethyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728326
(4S)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one
CID 11992675

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one (CID 134866822) is (4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one is CC(=CC(=O)N1C(=O)OC[C@H]1c1ccccc1)C1CCCCC1.
What is the InChIKey of (4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is VBPNJWHKPVBDJJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(15-8-4-2-5-9-15)12-18(21)20-17(13-23-19(20)22)16-10-6-3-7-11-16/h3,6-7,10-12,15,17H,2,4-5,8-9,13H2,1H3/t17-/m0/s1.
What are the key properties of (4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 313.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-cyclohexylbut-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134866822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).